COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.727   0.778   0.369  1.00  0.00           C  
HETATM    2  C   UNL     1       0.110   0.014  -0.623  1.00  0.00           C  
HETATM    3  O   UNL     1       1.010  -0.700  -0.235  1.00  0.00           O  
HETATM    4  C   UNL     1      -1.149   1.074  -2.419  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.468   0.364  -2.589  1.00  0.00           C  
HETATM    6  O   UNL     1      -2.580  -0.790  -2.252  1.00  0.00           O  
HETATM    7  O   UNL     1      -3.518   1.014  -3.114  1.00  0.00           O  
HETATM    8  N   UNL     1      -0.141   0.125  -1.943  1.00  0.00           N  
HETATM    9  C   UNL     1       0.594  -0.704  -2.901  1.00  0.00           C  
HETATM   10  C   UNL     1       1.862   0.028  -3.341  1.00  0.00           C  
HETATM   11  N   UNL     1       2.600  -0.803  -4.302  1.00  0.00           N  
HETATM   12  C   UNL     1       3.799  -0.045  -4.682  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.339   0.397   1.730  1.00  0.00           N  
HETATM   14  C   UNL     1       0.648   1.091   2.372  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.963  -0.628   2.338  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.839  -1.231   1.748  1.00  0.00           O  
HETATM   17  N   UNL     1      -0.624  -1.002   3.585  1.00  0.00           N  
HETATM   18  C   UNL     1       0.344  -0.344   4.252  1.00  0.00           C  
HETATM   19  O   UNL     1       0.648  -0.679   5.383  1.00  0.00           O  
HETATM   20  C   UNL     1       1.005   0.740   3.626  1.00  0.00           C  
HETATM   21  C   UNL     1       2.091   1.492   4.350  1.00  0.00           C  
HETATM   22  H   UNL     1      -0.568   1.847   0.232  1.00  0.00           H  
HETATM   23  H   UNL     1      -1.780   0.544   0.212  1.00  0.00           H  
HETATM   24  H   UNL     1      -1.261   1.880  -1.693  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.834   1.489  -3.377  1.00  0.00           H  
HETATM   26  H   UNL     1      -4.364   0.559  -3.223  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.033  -0.898  -3.770  1.00  0.00           H  
HETATM   28  H   UNL     1       0.865  -1.649  -2.430  1.00  0.00           H  
HETATM   29  H   UNL     1       2.490   0.222  -2.472  1.00  0.00           H  
HETATM   30  H   UNL     1       1.591   0.973  -3.812  1.00  0.00           H  
HETATM   31  H   UNL     1       2.025  -0.870  -5.128  1.00  0.00           H  
HETATM   32  H   UNL     1       4.383  -0.624  -5.398  1.00  0.00           H  
HETATM   33  H   UNL     1       3.503   0.900  -5.136  1.00  0.00           H  
HETATM   34  H   UNL     1       4.402   0.149  -3.795  1.00  0.00           H  
HETATM   35  H   UNL     1       1.141   1.915   1.879  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.081  -1.746   4.007  1.00  0.00           H  
HETATM   37  H   UNL     1       2.233   1.062   5.342  1.00  0.00           H  
HETATM   38  H   UNL     1       3.022   1.419   3.787  1.00  0.00           H  
HETATM   39  H   UNL     1       1.806   2.540   4.446  1.00  0.00           H  
CONECT    1    2   13   22   23                                       
CONECT    2    1    3    3    8                                       
CONECT    3    2    2                                                 
CONECT    4    5    8   24   25                                       
CONECT    5    4    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5   26                                                 
CONECT    8    2    4    9                                            
CONECT    9    8   10   27   28                                       
CONECT   10    9   11   29   30                                       
CONECT   11   10   12   31                                            
CONECT   12   11   32   33   34                                       
CONECT   13    1   14   15                                            
CONECT   14   13   20   20   35                                       
CONECT   15   13   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   18   36                                            
CONECT   18   17   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   14   14   18   21                                       
CONECT   21   20   37   38   39                                       
CONECT   22    1                                                      
CONECT   23    1                                                      
CONECT   24    4                                                      
CONECT   25    4                                                      
CONECT   26    7                                                      
CONECT   27    9                                                      
CONECT   28    9                                                      
CONECT   29   10                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
CONECT   32   12                                                      
CONECT   33   12                                                      
CONECT   34   12                                                      
CONECT   35   14                                                      
CONECT   36   17                                                      
CONECT   37   21                                                      
CONECT   38   21                                                      
CONECT   39   21                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
